硫氰酸亚铁
TL;DR: 硫氰酸亚铁 (CAS 6010-09-9) is a chemical compound with molecular formula C16H11NO6S and molecular weight 345.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫氰酸亚铁
4-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylbenzoic acid
Also Known As: ChemDiv2_000465, BIM-0039276.P001, 4-[(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)sulfonyl]benzoic acid, benzoic acid, 4-[(2,3-dihydro-2-methyl-1,3-dioxo-1h-isoindol-5-yl)sulfonyl]-, 4-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylbenzoic acid
| Molecular Formula | C16H11NO6S |
|---|---|
| Molecular Weight | 345.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.0307 |
| Heavy Atoms | 24 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 6010-09-9 |
|---|---|
| SMILES | CN1C(=O)C2=C(C1=O)C=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O |
| InChIKey | ZNTJXVRIINAHCS-UHFFFAOYSA-N |
Product Overview
硫氰酸亚铁 (CAS 6010-09-9), with molecular formula C16H11NO6S and molecular weight 345.03 g/mol. IUPAC: 4-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylbenzoic acid.
Chemical Property Profile of 硫氰酸亚铁
Property Insights of 硫氰酸亚铁
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫氰酸亚铁. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫氰酸亚铁. Following Lipinski's Rule of Five, 硫氰酸亚铁 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硫氰酸亚铁?
The CAS number of 硫氰酸亚铁 is 6010-09-9.
What is the molecular formula of 硫氰酸亚铁?
The molecular formula of 硫氰酸亚铁 is C16H11NO6S.
What is the molecular weight of 硫氰酸亚铁?
The molecular weight of 硫氰酸亚铁 is 345.03 g/mol.
Where can I buy 硫氰酸亚铁?
You can request a quote for 硫氰酸亚铁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫氰酸亚铁?
Yes, KEHONG BIO provides custom synthesis services for 硫氰酸亚铁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.